3-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 3-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]butyric acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(C)CC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC(C)CC(=O)O)Br

InChI

InChI=1S/C14H16BrNO3/c1-9-3-4-11(12(15)7-9)5-6-13(17)16-10(2)8-14(18)19/h3-7,10H,8H2,1-2H3,(H,16,17)(H,18,19)/b6-5+